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Home > Pyridines > 1003589-54-5
1003589-54-5 | 5H,6H,7H,8H,9H-pyrido[2,3-d]azepine-2-carbonitrile
CAS No: 1003589-54-5 Catalog No: AG01B14V MDL No:MFCD20683219
Product Description
Catalog Number:
AG01B14V
Chemical Name:
5H,6H,7H,8H,9H-pyrido[2,3-d]azepine-2-carbonitrile
CAS Number:
1003589-54-5
Molecular Formula:
C10H11N3
Molecular Weight:
173.2144
MDL Number:
MFCD20683219
IUPAC Name:
6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-2-carbonitrile
InChI:
InChI=1S/C10H11N3/c11-7-9-2-1-8-3-5-12-6-4-10(8)13-9/h1-2,12H,3-6H2
InChI Key:
PAXKSZCUYTZIAK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(n1)CCNCC2
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.219g/mol
Monoisotopic Mass:
173.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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